(8R,8aR)-6-azanyl-2-methyl-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: (8R,8aR)-6-azanyl-2-methyl-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: (8R,8aR)-6-amino-2-methyl-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: (8R,8aR)-6-amino-2-methyl-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8R,8aR)-6-amino-2-methyl-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: (8R,8aR)-6-amino-2-methyl-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C21H21N5 MolecularWeight: 343.42494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)CCC3=CC=CC=C3

Isomeric SMILES

CN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)CCC3=CC=CC=C3

InChI

InChI=1S/C21H21N5/c1-26-10-9-16-17(11-22)20(25)21(13-23,14-24)19(18(16)12-26)8-7-15-5-3-2-4-6-15/h2-6,9,18-19H,7-8,10,12,25H2,1H3/t18-,19+/m0/s1